BDBM50582707 CHEMBL5086513

SMILES C[C@@H]1CCCN1c2c(c3c(ncnc3n2C)N)C#N

InChI Key InChIKey=DCOXMFDDEKIJAR-UHFFFAOYSA-N

Data  2 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50582707   

LigandPNGBDBM50582707(CHEMBL5086513)
Affinity DataKi:  0.400nMAssay Description:Binding affinity to human LRRK2 WT incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
LigandPNGBDBM50582707(CHEMBL5086513)
Affinity DataKi:  0.700nMAssay Description:Binding affinity to human GST tagged truncated LRRK2 G2019S mutant incubated for 2 hrs by TR-FRET based Lanthascreen kinase activity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
LigandPNGBDBM50582707(CHEMBL5086513)
Affinity DataIC50: 11nMAssay Description:Inhibition of recombinant human GST tagged truncated LRRK2 G2019S mutant using fluorescein-labeled LRRKtide as substrate in presence of ATP preincuba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
LigandPNGBDBM50582707(CHEMBL5086513)
Affinity DataIC50: 15nMAssay Description:Inhibition of recombinant human LRRK2 WT using fluorescein-labeled LRRKtide as substrate in presence of ATP preincubated for 50 mins followed by anti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed